SCHEMBL4658100

SCHEMBL4658100

CCCCc1c(C(CC)C(=O)OCC)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CACNA1C Q13936 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4659318 0.92 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL4657623 0.88 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL4659156 0.88 CYP1A2 (0.49) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL10776668 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL4658127 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL4656718 0.75 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL5599060 0.74 ALOX5 (0.43)
SCHEMBL27884727 0.73 GPR35 (0.50) L3MBTL1SMN1; SMN2KMT2ACYP1A2TSHR
SCHEMBL27321459 0.72 TSHR (0.55) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL1715464 0.72 L3MBTL1 (0.47) ALDH1A1L3MBTL1GAASMN1; SMN2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
US-6737548-B2 REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US disclosed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ALDH1A1 159/4885L3MBTL1 3624/4885GAA 3694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.